ChemSpider 2D Image | (1beta,3beta,5alpha,16beta,22S)-1-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yl beta-D-glucopyranoside | C39H68O13

(1β,3β,5α,16β,22S)-1-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yl β-D-glucopyranoside

  • Molecular FormulaC39H68O13
  • Average mass744.949 Da
  • Monoisotopic mass744.466003 Da
  • ChemSpider ID24713488
  • defined stereocentres - 22 of 22 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1β,3β,5α,16β,22S)-1-[(6-Deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yl β-D-glucopyranoside [ACD/IUPAC Name]
(1β,3β,5α,16β,22S)-1-[(6-Desoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
β-D-Glucopyranoside de (1β,3β,5α,16β,22S)-1-[(6-désoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (1β,3β,5α,16β,22S)-1-[(6-deoxy-α-L-mannopyranosyl)oxy]-3,22-dihydroxycholestan-16-yl [ACD/Index Name]
(22S)-16[β]-[([β]-D-glucopyranosyl)oxy]-3[β],22-dihydroxy-5[α]-cholestan-1[β]-yl [α]-L-rhamnopyranoside
142182-46-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 858.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 141.8±6.0 kJ/mol
Flash Point: 473.1±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 190.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 9
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 17.84
ACD/KOC (pH 5.5): 273.54
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 17.84
ACD/KOC (pH 7.4): 273.54
Polar Surface Area: 219 Å2
Polarizability: 75.6±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 563.3±5.0 cm3

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